Hi, I think, you can generate new restrain file for your ligand and load before you do refine in COOT for next time. I have query that, how did you generate restrain file for ligand (elbow or readyset in phenix)?.
On Thu, Apr 30, 2020 at 5:06 PM Muhammad Bashir Khan <[email protected]> wrote: > Hi Folks; > > I want to ask about the ligand refinement in coot. Earlier I was able to > refine the ligand in the coot using real space refine zone but now by some > reason when I want to refine the ligand in coot it asks me > "Refinement setup failure failed to find restrained for XYZ". Do not know > what happen to the restrained file > > All your suggestion will be highly appreciated > > Bashir > > -- > ------------------------------------------------------ > Muhammad Bashir Khan, Ph.D. > Research Associate > Department of Biochemistry > Medical Science Bldg. > Lab 3-27 > University of Alberta > Edmonton AB, T6G 2H7 > > Phone: 780-492-4577- > e-mail: [email protected] <[email protected]> > > ------------------------------ > > To unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1 > -- Sharan Karade Postdoc-fellow IBBR-UMD, 9600 Gudelsky Dr, Rockville Maryland 20850 ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1
